4-tert-butyl-N-(6-oxopiperidin-3-yl)thiadiazole-5-carboxamide

C12H18N4O2S — CID 65210017

IUPAC4-tert-butyl-N-(6-oxopiperidin-3-yl)thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C12H18N4O2S/c1-12(2,3)10-9(19-16-15-10)11(18)14-7-4-5-8(17)13-6-7/h7H,4-6H2,1-3H3,(H,13,17)(H,14,18)
InChIKeyFFTJMKYJKJDGRG-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.84
Rot. Bonds2

About 4-tert-butyl-N-(6-oxopiperidin-3-yl)thiadiazole-5-carboxamide

4-tert-butyl-N-(6-oxopiperidin-3-yl)thiadiazole-5-carboxamide (PubChem CID 65210017) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-tert-butyl-N-(6-oxopiperidin-3-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(6-oxopiperidin-3-yl)thiadiazole-5-carboxamide
PubChem CID65210017
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name4-tert-butyl-N-(6-oxopiperidin-3-yl)thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C12H18N4O2S/c1-12(2,3)10-9(19-16-15-10)11(18)14-7-4-5-8(17)13-6-7/h7H,4-6H2,1-3H3,(H,13,17)(H,14,18)
InChIKeyFFTJMKYJKJDGRG-UHFFFAOYSA-N
XLogP0.84
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(6-oxopiperidin-3-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-(6-oxopiperidin-3-yl)thiadiazole-5-carboxamide (CID 65210017) is 4-tert-butyl-N-(6-oxopiperidin-3-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(6-oxopiperidin-3-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(6-oxopiperidin-3-yl)thiadiazole-5-carboxamide is CC(C)(C)c1nnsc1C(=O)NC1CCC(=O)NC1.
What is the InChIKey of 4-tert-butyl-N-(6-oxopiperidin-3-yl)thiadiazole-5-carboxamide?
The InChIKey is FFTJMKYJKJDGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-12(2,3)10-9(19-16-15-10)11(18)14-7-4-5-8(17)13-6-7/h7H,4-6H2,1-3H3,(H,13,17)(H,14,18).
What are the key properties of 4-tert-butyl-N-(6-oxopiperidin-3-yl)thiadiazole-5-carboxamide?
4-tert-butyl-N-(6-oxopiperidin-3-yl)thiadiazole-5-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(6-oxopiperidin-3-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 65210017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).